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Avoid splitting reaction SMILES at dative bonds #30

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merged 2 commits into from
Jul 16, 2024

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avaucher
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As indicated in rxn4chemistry/rxnmapper#50, splitting reaction SMILES at ">" characters is not always safe anymore after RDKit introduced dative bonds with the "->" notation. This PR fixes this.

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cla-bot bot commented Jul 11, 2024

Thank you for your pull request and welcome to our community. We could not parse the GitHub identity of the following contributors: Alain Vaucher.
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@cla-bot check

@cla-bot cla-bot bot added the cla-signed label Jul 11, 2024
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cla-bot bot commented Jul 11, 2024

The cla-bot has been summoned, and re-checked this pull request!

@avaucher avaucher requested a review from drugilsberg July 16, 2024 16:34
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@drugilsberg drugilsberg left a comment

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LGTM

@drugilsberg drugilsberg merged commit 913c2ce into main Jul 16, 2024
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@drugilsberg drugilsberg deleted the split-reaction-smiles-with-dative-bond branch July 16, 2024 20:44
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2 participants